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Home > Fluorides > 144193-98-6
144193-98-6 | 3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-, ethyl ester
CAS No: 144193-98-6 Catalog No: AG001J35 MDL No:
Product Description
Catalog Number:
AG001J35
Chemical Name:
3-Butenoic acid, 3,4,4-trifluoro-2,2-dimethyl-, ethyl ester
CAS Number:
144193-98-6
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
IUPAC Name:
ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate
InChI:
InChI=1S/C8H11F3O2/c1-4-13-7(12)8(2,3)5(9)6(10)11/h4H2,1-3H3
InChI Key:
CTHOUJQSKWEKMV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=C(F)F)F)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.169g/mol
Monoisotopic Mass:
196.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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